N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide

C13H19NO3S — CID 55218470

IUPACN-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(CC)C(C)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-4-13(10(3)15)11-6-8-12(9-7-11)18(16,17)14-5-2/h6-9,13-14H,4-5H2,1-3H3
InChIKeyWOVHBJOUHFKWDB-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.07
Rot. Bonds6

About N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide

N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide (PubChem CID 55218470) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide
PubChem CID55218470
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(CC)C(C)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-4-13(10(3)15)11-6-8-12(9-7-11)18(16,17)14-5-2/h6-9,13-14H,4-5H2,1-3H3
InChIKeyWOVHBJOUHFKWDB-UHFFFAOYSA-N
XLogP2.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopentan-3-yl)-N-propylbenzenesulfonamide
CID 55167882
N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 63200532
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
2-[4-(propan-2-ylsulfamoyl)phenyl]butanoic acid
CID 113428098
N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
CID 63561329
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate
CID 21094177
4-(2-chloro-1-cyanoethyl)-N-ethylbenzenesulfonamide
CID 63216282
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
2-amino-N-[4-(ethylsulfamoyl)phenyl]-3-methylpentanamide
CID 43711022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide (CID 55218470) is N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(CC)C(C)=O)cc1.
What is the InChIKey of N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide?
The InChIKey is WOVHBJOUHFKWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-13(10(3)15)11-6-8-12(9-7-11)18(16,17)14-5-2/h6-9,13-14H,4-5H2,1-3H3.
What are the key properties of N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide?
N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 55218470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).